SCHEMBL23616902

SCHEMBL23616902

C=C/C=C\C(=C/C)CNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CTSK P43235 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CA2 P00918 4/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 2/20 0.33
EPHX1 P07099 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTPN11 Q06124 1/20 0.32
CA7 P43166 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27117990 0.83 MEN1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19575385 0.80 TDP1 (0.37) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18570966 0.79 TDP1 (0.39) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL24328811 0.79 ALDH1A1 (0.33) KMT2AGAAALDH1A1TSHR
SCHEMBL16312710 0.76 SOAT1 (0.36) KDM4E
SCHEMBL24199906 0.76 MAOA (0.38) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19575693 0.75 TDP1 (0.36) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL26216894 0.75 TDP1 (0.36) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19654856 0.74 TDP1 (0.40) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8083217 0.73 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed